CID 84723824

2126178-04-7

Structural Information

Molecular Formula
C7H10BrN3
SMILES
C1CC1(CN)N2C=C(C=N2)Br
InChI
InChI=1S/C7H10BrN3/c8-6-3-10-11(4-6)7(5-9)1-2-7/h3-4H,1-2,5,9H2
InChIKey
KQNXXBFZBCWVGN-UHFFFAOYSA-N
Compound name
[1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00581 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.013086 140.3
[M+Na]+ 237.995028 154.5
[M-H]- 213.998534 147.8
[M+NH4]+ 233.039633 158.6
[M+K]+ 253.968968 143.0
[M+H-H2O]+ 198.003070 139.6
[M+HCOO]- 260.004011 161.9
[M+CH3COO]- 274.019661 155.3
[M+Na-2H]- 235.980476 148.0
[M]+ 215.00526142 159.2
[M]- 215.00635858 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.